Geometry & MOs

Info

ID:	57583
PubChem CID:	22425568
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	358.045727
ΔH_f, kcal/mol:	-41.49
Dipole, Da:	7.05
IP(EA), eV:	-8.77(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-4-(4-fluorophenyl)sulfonyl-5-methylsulfanyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN2C(=O)C=C3CCCC3=N2)C

DOS

IR

Vibrations